(2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium

C29H34N3O6Y- — CID 59696786

About (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium

(2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium (PubChem CID 59696786) has the molecular formula C29H34N3O6Y- and a molecular weight of 609.51 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium
• PubChem CID: 59696786
• Molecular Formula: C29H34N3O6Y-
• Molecular Weight: 609.51 g/mol
• Exact Mass: 609.15
• IUPAC Name: (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium
• SMILES: Cc1[c-]ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]2CC(=O)OC2OCc2ccccc2)C(C)C)c1.[Y]
• InChI: InChI=1S/C29H34N3O6.Y/c1-18(2)25(31-26(34)21-12-7-9-19(3)15-21)28(36)32-14-8-13-23(32)27(35)30-22-16-24(33)38-29(22)37-17-20-10-5-4-6-11-20;/h4-7,10-12,15,18,22-23,25,29H,8,13-14,16-17H2,1-3H3,(H,30,35)(H,31,34);/q-1;/t22-,23-,25-,29?;/m0./s1
• InChIKey: CFZXHNXOTNKKDD-URPRILHLSA-N
• XLogP: 2.51
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.51
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium?

The IUPAC name of (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium (CID 59696786) is (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium.

What is the SMILES notation for (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium?

The canonical SMILES for (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium is Cc1[c-]ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]2CC(=O)OC2OCc2ccccc2)C(C)C)c1.[Y].

What is the InChIKey of (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium?

The InChIKey is CFZXHNXOTNKKDD-URPRILHLSA-N. The full InChI is InChI=1S/C29H34N3O6.Y/c1-18(2)25(31-26(34)21-12-7-9-19(3)15-21)28(36)32-14-8-13-23(32)27(35)30-22-16-24(33)38-29(22)37-17-20-10-5-4-6-11-20;/h4-7,10-12,15,18,22-23,25,29H,8,13-14,16-17H2,1-3H3,(H,30,35)(H,31,34);/q-1;/t22-,23-,25-,29?;/m0./s1.

What are the key properties of (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium?

(2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium has a molecular weight of 609.51 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium is sourced from PubChem (CID 59696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).